[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)NC4=CC(=CC=C4)Br)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)NC4=CC(=CC=C4)Br)C(=O)N2C1

InChI

InChI=1S/C20H16BrN3O4/c21-13-3-1-4-14(10-13)22-18(25)11-28-20(27)12-6-7-15-16(9-12)23-17-5-2-8-24(17)19(15)26/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,22,25)